SCHEMBL749847

SCHEMBL749847

CCCNC(=O)c1cccc(Nc2nc3ccccn3c2-c2cc(N)nc(C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.53
MTOR P42345 12/20 0.53
PIK3CB P42338 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
CSNK2A1 P68400 1/20 0.41
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
BRD4 O60885 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL749918 0.93 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL752836 0.89 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL749846 0.86 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL751576 0.85 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL756457 0.84 PIK3CA (0.56) PIK3CAMTORCYP1A2CYP2C9CYP2C19
SCHEMBL751862 0.84 PIK3CA (0.56) PIK3CAMTORPIK3CBMAPT
SCHEMBL752472 0.83 PIK3CA (0.54) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL758618 0.83 PIK3CA (0.51) PIK3CAMTORMAPTCYP2C19
SCHEMBL756108 0.81 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL11027619 0.81 PIK3CA (0.60) PIK3CAMTORPIK3CBPIK3CDPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed